[4-(1-aminopropan-2-yl)piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone

C14H22N4O2 — CID 63337490

IUPAC[4-(1-aminopropan-2-yl)piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone
SMILESCOc1ncccc1C(=O)N1CCN(C(C)CN)CC1
InChIInChI=1S/C14H22N4O2/c1-11(10-15)17-6-8-18(9-7-17)14(19)12-4-3-5-16-13(12)20-2/h3-5,11H,6-10,15H2,1-2H3
InChIKeyNNPOCQYFLAUVDD-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.20
Rot. Bonds4

About [4-(1-aminopropan-2-yl)piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone

[4-(1-aminopropan-2-yl)piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone (PubChem CID 63337490) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is [4-(1-aminopropan-2-yl)piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone.

Molecular Properties

Compound Name[4-(1-aminopropan-2-yl)piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone
PubChem CID63337490
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name[4-(1-aminopropan-2-yl)piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone
SMILESCOc1ncccc1C(=O)N1CCN(C(C)CN)CC1
InChIInChI=1S/C14H22N4O2/c1-11(10-15)17-6-8-18(9-7-17)14(19)12-4-3-5-16-13(12)20-2/h3-5,11H,6-10,15H2,1-2H3
InChIKeyNNPOCQYFLAUVDD-UHFFFAOYSA-N
XLogP0.20
TPSA71.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(2-methoxypyridine-3-carbonyl)piperazin-1-yl]propanoic acid
CID 62317950
4-(2-methoxypyridine-3-carbonyl)piperazine-1-sulfonamide
CID 62876001
[4-(aminomethyl)-4-methylpiperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 107160131
[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 95325642
(4,4-difluoropiperidin-1-yl)-(2-methoxy-3-pyridinyl)methanone
CID 121184561
(3,3-difluoroazetidin-1-yl)-(2-methoxy-3-pyridinyl)methanone
CID 122269321
(2-methoxy-3-pyridinyl)-(4-methylpiperidin-1-yl)methanone
CID 110849089
[4-(azetidin-3-yl)piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 66201560
2-[4-(2-methoxypyridine-3-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 39488062
(2-methoxy-3-pyridinyl)-[4-(2-methylpropylsulfonyl)piperidin-1-yl]methanone
CID 90590146
[4-(benzenesulfonyl)piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 55559458
[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 91792821

Frequently Asked Questions

What is the IUPAC name of [4-(1-aminopropan-2-yl)piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone?
The IUPAC name of [4-(1-aminopropan-2-yl)piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone (CID 63337490) is [4-(1-aminopropan-2-yl)piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone.
What is the SMILES notation for [4-(1-aminopropan-2-yl)piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone?
The canonical SMILES for [4-(1-aminopropan-2-yl)piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone is COc1ncccc1C(=O)N1CCN(C(C)CN)CC1.
What is the InChIKey of [4-(1-aminopropan-2-yl)piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone?
The InChIKey is NNPOCQYFLAUVDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-11(10-15)17-6-8-18(9-7-17)14(19)12-4-3-5-16-13(12)20-2/h3-5,11H,6-10,15H2,1-2H3.
What are the key properties of [4-(1-aminopropan-2-yl)piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone?
[4-(1-aminopropan-2-yl)piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone has a molecular weight of 278.36 g/mol, XLogP of 0.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-aminopropan-2-yl)piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone is sourced from PubChem (CID 63337490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).